Glycoside
GD132159
Name:
3-({3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneFormula:
C27H30O14Smiles:
COc1cc(-c2oc3cc(O)ccc3c(=O)c2OC2OCC(O)C(OC3OC(C)C(O)C(O)C3O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1OSugarmoiety:
CC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 217.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD19660
Formula: C16H12O6
Smiles:
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
